Molecule

ID:16726

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉FO₄
Molecular Mass
236.1958632
Exact Mass
236.04848699
Charge
0
InChI
InChI=1S/C12H9FO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15)
InChIKey
KYVUAHUKHLAOMK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCc1ccc(o1)C(=O)O
Isomeric Smiles
c1(oc(cc1)COc1ccc(F)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1123633
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.038580716
LogD (pH = 7.4)
-1.1390514
Log P
2.3205802
Molar Refractivity
56.8748
Polarizability
21.43281
Polar Surface Area
59.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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